| CAS Number | 721415-89-0 |
| Catalog Number | AG019HOX |
| Chemical Name | 3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxylic acid |
| IUPAC Name | 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C14H9F3N2O2S/c1-7-10-6-11(13(20)21)22-12(10)19(18-7)9-4-2-3-8(5-9)14(15,16)17/h2-6H,1H3,(H,20,21) |
| InChI Key | ZUGVILCKSWTFMF-UHFFFAOYSA-N |
| MDL Number | MFCD03949057 |
| Molecular Formula | C14H9F3N2O2S |
| Molecular Weight | 326.2937 |
| SMILES | CC1C2=C(SC(C(O)=O)=C2)N(C2=CC(C(F)(F)F)=CC=C2)N=1 |
| Synonyms | 3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-thieno[2,3-c]pyrazole-5-carboxylic acid,
721415-89-0,
3-Methyl-1-(3-trifluoromethyl-phenyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid,
AC1M63OG,
AC1Q2PS4,
CTK7I7439,
HMS1722J18,
ZINC3222783,
AKOS023166080,
MCULE-4404502330,
NE50126,
EN300-04242,
AB00714839-01,
Z56860353,
3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylic acid,
CID2341204,
CID 2341204,
|
| Complexity | 448 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.293g/mol |
| Monoisotopic Mass | 326.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number